SCHEMBL9526420

SCHEMBL9526420

COc1ccc(C(=O)N[C@H]2N=C(c3ccccc3F)c3ccccc3NC2=O)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 14/20 0.78
CCKAR P32238 11/20 0.72

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9526411 1.00 CCKBR (0.78) CCKBRCCKAR
SCHEMBL9525828 0.87 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9525817 0.87 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9531414 0.84 CCKBR (0.78) CCKBRCCKAR
SCHEMBL9531396 0.84 CCKBR (0.78) CCKBRCCKAR
SCHEMBL9526115 0.84 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9526104 0.84 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9526643 0.84 CCKBR (1.00) CCKBRCCKAR
SCHEMBL7593098 0.84 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9525304 0.82 CCKBR (1.00) CCKBRCCKAR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0167919-B1 BENZODIAZEPINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK & CO. INC. (US) 1993-05-05 EP claimed
EP-0167919-A2 Benzodiazepine derivatives and pharmaceutical compositions containing them MERCK & CO. INC. (US) 1986-01-15 EP claimed
EP-0167919-B1 BENZODIAZEPINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK & CO. INC. (US) 1993-05-05 EP disclosed
US-5004741-A Cholecystokinin(CCK); Treating Disorders Of The Gastrointestinal Tract, Central Nervous System And Of The Appetite Of Animals MERCK & CO., INC. (US) 1991-04-02 US disclosed
US-4820834-A Benzodiazepine analogs MERCK & CO., INC. (US) 1989-04-11 US disclosed
EP-0284256-A1 Benzodiazepine analogs MERCK & CO. INC. (US) 1988-09-28 EP disclosed